(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol

C26H31NO3S — CID 7055009

IUPAC(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
SMILESCC[C@H](c1ccccc1)[C@@](O)(c1ccc(OCCN2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C26H31NO3S/c1-2-24(21-7-4-3-5-8-21)26(28,25-9-6-20-31-25)22-10-12-23(13-11-22)30-19-16-27-14-17-29-18-15-27/h3-13,20,24,28H,2,14-19H2,1H3/t24-,26+/m1/s1
InChIKeyIEZMQMOJSXSXEJ-RSXGOPAZSA-N
MW437.61 g/mol
LogP4.89
Rot. Bonds9

About (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol

(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol (PubChem CID 7055009) has the molecular formula C26H31NO3S and a molecular weight of 437.61 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
PubChem CID7055009
Molecular FormulaC26H31NO3S
Molecular Weight437.61 g/mol
Exact Mass437.20
IUPAC Name(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
SMILESCC[C@H](c1ccccc1)[C@@](O)(c1ccc(OCCN2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C26H31NO3S/c1-2-24(21-7-4-3-5-8-21)26(28,25-9-6-20-31-25)22-10-12-23(13-11-22)30-19-16-27-14-17-29-18-15-27/h3-13,20,24,28H,2,14-19H2,1H3/t24-,26+/m1/s1
InChIKeyIEZMQMOJSXSXEJ-RSXGOPAZSA-N
XLogP4.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,2R)-1-[4-(2-morpholin-4-ium-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol
CID 7055012
4-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]morpholine
CID 803266
(2R,3R)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenylhexan-3-ol
CID 92697716
(1S)-1-(4-butoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 7128599
(2S,3R)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873941
(2S,3S)-4-morpholin-4-yl-2-(4-pentoxyphenyl)-3-phenylbutan-2-ol
CID 26873947
(2R,3R)-3-(4-ethoxyphenyl)-4-methyl-1-morpholin-4-yl-2-phenylpentan-3-ol
CID 29347408
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
(2R,3S)-3-(4-butoxyphenyl)-1-morpholin-4-yl-2-phenyldecan-3-ol
CID 98214159
4-[4-(2-morpholin-4-ylethoxy)phenyl]heptan-4-amine
CID 138678189
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
(1S,2R)-2-(4-chlorophenyl)-1-(4-ethoxyphenyl)-3-morpholin-4-yl-1-phenylpropan-1-ol
CID 29184647

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol (CID 7055009) is (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol is CC[C@H](c1ccccc1)[C@@](O)(c1ccc(OCCN2CCOCC2)cc1)c1cccs1.
What is the InChIKey of (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol?
The InChIKey is IEZMQMOJSXSXEJ-RSXGOPAZSA-N. The full InChI is InChI=1S/C26H31NO3S/c1-2-24(21-7-4-3-5-8-21)26(28,25-9-6-20-31-25)22-10-12-23(13-11-22)30-19-16-27-14-17-29-18-15-27/h3-13,20,24,28H,2,14-19H2,1H3/t24-,26+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol?
(1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol has a molecular weight of 437.61 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2-morpholin-4-ylethoxy)phenyl]-2-phenyl-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 7055009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).